INLR (Implicit Non-linear Latent variable Regression). II. Blockscaling of Expanded Terms with QSAR Examples

Computer-Assisted Lead Finding and Optimization: Current Tools for Medicinal Chemistry

Volumn , Issue , 2007, Pages 65-79

  Berglund, Anders ^a   Wold, Svante ^a  

^a UMEÅ UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EQUIVALENCE CLASSES;

CROSS-TERMS; LATENT STRUCTURES; LATENT VARIABLE; LINEAR MODELING; NON LINEAR; PREDICTION ERRORS; TEST SETS;

COMPUTATIONAL CHEMISTRY;

EID: 84951799784     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783906390406.ch4     Document Type: Chapter

References (16)

1. A. Berglund, S. Wold, J. Chemometrics, in press.
2. G. E. P. Box, N. R. Draper, Empirical Model-Buillding and Response Surfaces, Wiley, Chichester 1987.
3. O. M. Kvalheim. Chemometrics Intell. Lab. Syst. 1990, 8, 59-67.
4. J. Zupan, J. Gasteiger, Anal. Chim. Ada., 1991, 248, 1-30.
5. S. Wold.. Chemometrics Intell. Lab. Syst. 1992, 14, 71-84.
6. T. R. Holcomb, M. Morari. Computers chem. Engng. 1992, 16, 379-391.
7. A. Hoskuldsson, Predictions Methods in Science and Technology Vol. 1. Basic Theory. Thor Publishing, Arnegaards Alee 7, Denmark, 1996.
8. S. Wold. In 'QSAR: Chemometric Methods in Molecular Design', Ed. H. van de Waterbeemd,Methods and Principals in Medicinal Chemistry, Vol 2., Verlag Chemie, Weinheim, Germany, 1995, pp. 195-218.
9. S. Wold, E. Johansson, and M. Cocchi, In '3D QSAR in Drug Design, Theory, Methods, and Applications' H. Kubinyi (Ed.),. ESCOM Science Publishers, Leiden, 1993, pp. 523-550.
10. S. Wold, Technometrics, 1978, 20, 397-405.
11. L. Hellberg, J. Ericksson, F. Jonsson, Lindgren, M. Sjöström, B. Skagerberg, S. Wold, P. Andrews. Int. J. Peptide Protein Res. 1991, 37, 414-424.
12. S. Hellberg, M. Sjöström, B. Skagerberg, S. Wold. J. Med. Chem. 1987, 30, 1126-1135.
13. P. J. Goodford. J. Med Chem 1985, 28, 849-857.
14. P. J. Goodford. J. Chemometrics, 1996, 10, 107-117.
15. L-L. Uppgård, Å. Lindgren, M. Sjöström, S. Wold, In preparation.
16. A. Lindgren, M. Sjöström, S. Wold, Quant. Struct. Act. Relat. Submitted.